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Number of items: 13.


Ponec, Robert, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2020) Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity? MOLECULES, 25 (20). E4791-.


Karadakov, Peter B, Di, Make and Cooper, David L ORCID: 0000-0003-0639-0794
(2020) Excited-State Aromaticity Reversals in Mobius Annulenes. JOURNAL OF PHYSICAL CHEMISTRY A, 124 (46). pp. 9611-9616.


Cooper, David L ORCID: 0000-0003-0639-0794, Ponec, Robert and Karadakov, Peter B
(2022) Investigating Istvan Mayer's "improved" definitions of bond orders and free valence for correlated singlet-state wave functions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 122 (8).


Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2019) Is the S<sub>2</sub>N<sub>2</sub> ring a singlet diradical? Critical analysis of alternative valence bond descriptions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 119 (7). e25845-e25845.


Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2019) Is the S₂N₂ ring a singlet diradical? Critical analysis of alternative valence bond descriptions. International Journal of Quantum Chemistry, 119 (7).


Karadakov, Peter B, Stewart, Ben and Cooper, David L ORCID: 0000-0003-0639-0794
(2023) Magnetic Shielding Analysis of Bonding in [1.1.1]Propellane. JOURNAL OF PHYSICAL CHEMISTRY A, 127 (4). pp. 861-869.


Karadakov, Peter B and Cooper, David L ORCID: 0000-0003-0639-0794
(2017) Modern valence-bond descriptions of polycyclic fused aromatic compounds involving cyclopropenyl rings. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1116. pp. 32-39.


Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794, Karadakov, Peter B and Ponec, Robert
(2020) Nature of the chemical bonding in D3h [MH₃M]⁺ cations (M = Be, Mg). International Journal of Quantum Chemistry, 120 (11).


Cooper, David L ORCID: 0000-0003-0639-0794, Penotti, Fabio E and Karadakov, Peter B
(2023) Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations. JOURNAL OF PHYSICAL CHEMISTRY A, 127 (23). pp. 4949-4956.


Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2021) Role of Dynamical Electron Correlation in the Differences in Bonding between CaAlH<sub>3</sub> and MgAlH<sub>3</sub>. JOURNAL OF PHYSICAL CHEMISTRY A, 125 (18). pp. 3912-3919.


Dunning Jr, Thom H, Cooper, David L ORCID: 0000-0003-0639-0794, Xu, Lu T and Karadakov, Peter B
(2022) Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules. In: Comprehensive Computational Chemistry. Elsevier.


Dunning, Thom H Jr, Xu, Lu T, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2021) Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds. JOURNAL OF PHYSICAL CHEMISTRY A, 125 (10). pp. 2021-2050.


Galbraith, John Morrison, Shaik, Sason, Danovich, David, Braida, Benoit, Wu, Wei, Hiberty, Philippe, Cooper, David L ORCID: 0000-0003-0639-0794, Karadakov, Peter B and Dunning, Thom H Jr
(2021) Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another. JOURNAL OF CHEMICAL EDUCATION, 98 (12). pp. 3617-3620.

This list was generated on Mon Feb 12 15:46:49 2024 GMT.